SCHEMBL11979772

SCHEMBL11979772

CCCCCc1cnc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.45
RARB P10826 2/20 0.45
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 4/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11979778 0.99 RARB (0.47) GCGRRARBRAB9ASMN1; SMN2MAPT
SCHEMBL11979777 0.99 RARB (0.47) GCGRRARBRAB9ASMN1; SMN2MAPT
SCHEMBL11979779 0.99 RARB (0.47) GCGRRARBRAB9ASMN1; SMN2MAPT
SCHEMBL9399411 0.90 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9399034 0.88 RARB (0.50) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9398666 0.87 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9398829 0.87 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL8555801 0.85 RAB9A (0.49) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9399921 0.84 RARB (0.52) GCGRRARBRAB9ASMN1; SMN2MAPT
SCHEMBL17225150 0.83 RARB (0.52) GCGRRARBRAB9ASMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993754-B2 Iridium complex and light emitting material formed from same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-03-31 US disclosed
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120208999-A1 IRIDIUM COMPLEX AND LIGHT EMITTING MATERIAL FORMED FROM SAME LUC7L2, CRY1, INTS9 GCGR 4385/4885RARB 3014/4885RAB9A 1983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.